| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:25 UTC |
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| Update Date | 2025-03-21 18:01:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034726 |
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| Frequency | 103.3 |
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| Structure | |
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| Chemical Formula | C10H12INO3 |
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| Molecular Mass | 320.9862 |
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| SMILES | CNC(Cc1ccc(O)c(I)c1)C(=O)O |
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| InChI Key | PADMBYHCEGCPJU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdialkylamineshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivatives2-iodophenolsecondary aminearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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